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88605-75-8 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(butylthio)-
CAS No: 88605-75-8 Catalog No: AG004AV0 MDL No:
Product Description
Catalog Number:
AG004AV0
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(butylthio)-
CAS Number:
88605-75-8
Molecular Formula:
C22H28N4O2S2
Molecular Weight:
444.6133
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(butylsulfanyl)anthracene-9,10-dione
InChI:
InChI=1S/C22H28N4O2S2/c1-3-5-7-29-13-9-11(23)15-17(19(13)25)22(28)18-16(21(15)27)12(24)10-14(20(18)26)30-8-6-4-2/h9-10H,3-8,23-26H2,1-2H3
InChI Key:
LXXHLKYSLSHOIA-UHFFFAOYSA-N
SMILES:
CCCCSc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)SCCCC
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.165g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
444.612g/mol
Monoisotopic Mass:
444.165g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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